(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide

C19H30N2O5S2 — CID 125057622

IUPAC(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C19H30N2O5S2/c1-14(19(22)20-11-12-27-16-7-5-6-8-16)21(28(4,23)24)15-9-10-17(25-2)18(13-15)26-3/h9-10,13-14,16H,5-8,11-12H2,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyIHOFSXZAHBUQNI-CQSZACIVSA-N
MW430.59 g/mol
LogP2.65
Rot. Bonds10

About (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide

(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide (PubChem CID 125057622) has the molecular formula C19H30N2O5S2 and a molecular weight of 430.59 g/mol. Its IUPAC name is (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
PubChem CID125057622
Molecular FormulaC19H30N2O5S2
Molecular Weight430.59 g/mol
Exact Mass430.16
IUPAC Name(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C19H30N2O5S2/c1-14(19(22)20-11-12-27-16-7-5-6-8-16)21(28(4,23)24)15-9-10-17(25-2)18(13-15)26-3/h9-10,13-14,16H,5-8,11-12H2,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyIHOFSXZAHBUQNI-CQSZACIVSA-N
XLogP2.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 126031838
(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 100583996
N-(2-cyclohexylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 133170726
N-(2-cyclopentylsulfanylethyl)-2-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 133160933
(2S)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(2-cyclopentylsulfanylethyl)propanamide
CID 100774043
N-(2-cyclohexylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 133239121
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 132662735
(2R)-N-(2-cyclohexylsulfanylethyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 92684572
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 99959242
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 132947898
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 133252034
(2S)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 99971461

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide (CID 125057622) is (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide is COc1ccc(N([C@H](C)C(=O)NCCSC2CCCC2)S(C)(=O)=O)cc1OC.
What is the InChIKey of (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is IHOFSXZAHBUQNI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H30N2O5S2/c1-14(19(22)20-11-12-27-16-7-5-6-8-16)21(28(4,23)24)15-9-10-17(25-2)18(13-15)26-3/h9-10,13-14,16H,5-8,11-12H2,1-4H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide?
(2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 430.59 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 125057622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).